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CAS 855779-05-4 Boronic acid, B-[3-[[(1,1-diMethylethyl)diphenylsilyl]oxy]phenyl]- molecular structure lightbox
CAS RN: 855779-05-4

Boronic acid, B-[3-[[(1,1-diMethylethyl)diphenylsilyl]oxy]phenyl]-

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250404 100mg In stock Shanghai Inquiry
Batchno.20250227 1g In stock Shanghai Inquiry
Batchno.20260528 250mg In stock Shanghai Inquiry
Batchno.20250414 50mg In stock Shanghai Inquiry
  • Product code: starshine_CAS855779-05-4
  • Purity/Analytical Methods: >99.0%
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855779-05-4 / [3-[tert-butyl(diphenyl)silyl]oxyphenyl]boronic acid

Standard CAS: 855779-05-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
855779-05-4
Multi CAS
No
Molecular Formula
BC22H25O3Si
Molecular Weight
376.300000
Exact Mass
376.166601
InChI
InChI=1S/C22H25BO3Si/c1-22(2,3)27(20-13-6-4-7-14-20,21-15-8-5-9-16-21)26-19-12-10-11-18(17-19)23(24)25/h4-17,24-25H,1-3H3
InChIKey
NNVAKOCPHAISJQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
18
Fraction Csp3
0.18
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
114.52
TPSA
49.69

LogP / Solubility

WLOGP
2.31
MLOGP
2.05
XLogP3
2.31
Consensus LogP
2.22
Log S (ESOL)
-3.79
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.31
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.62
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.38

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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